pk file description

The pk file is an ascii file. It contains goniostat definitions and peak positions.
Parameter legenda
s string
f floating number
i integer number
a angle
v vector in laboratory system
IMPACT records require Goniostat Data Type 1. IMPACT and IMPACT3 records can be mixed. HKL records may not be mixed with IMPACT or IMPACT3 records.
keyword parameters default description
Required
LAMBDA f required wavelength (Å)
GONIOSTATTYPE s required kappa euler dtb
KAPPASUPPORT a required for kappa goniostat kappa support angle (°)
DIST f required detector distance (mm)
SWING a required detector swing (°)
Goniostat data type 1
GONIOMETERSTART a a a required Goniostat angles (°)
GONIOMETEREND a a a required Goniostat angles (°)
Goniostat data type 2
TOGONIOSTATMAT   required transform goniometer head to goniostat position
  3 lines with matrix components
ROTAX v required rotation axis at goniostat position
Goniostat data type 3
GONIOSTAT a a a required Goniostat angles (°)
SCAN s required rotation axis name
Optional
GONIOSTATOFFSET a a a 0.0 0.0 0.0 Offset goniostat angles (°)
ROTATIONDIRECTION ±1 ±1 ±1 -1 -1 -1 +1 counter-clockwise, -1 clockwise
DETZERO f f f 0.0 0.0 0.0 initial detector shifts (mm)
DETROT a a a 0.0 0.0 0.0 initial detector rotations (°)
ALIGNDETID s unknown detector id. Used in saved detalign.vic
GONIOSTATID s unknown goniostat id. Used in saved goniostat.inc
Ignored
DETECTORTYPE s   KappaCCD mar marccd adsc smart
EULERSTART a a a   Goniostat angles in Euler geometry (°)
EULEREND a a a   Goniostat angles in Euler geometry (°)
PEAK...     Peak search parameters program View
Peak Data
IMPACT f f f   Hor Ver Intensity
IMPACT3 f f a f   Hor Ver Rot Intensity
HKL i i i f f f a   h k l Intensity Hor Ver Rot
HKL2 i i i f f f a a a   h k l Intensity Hor Ver Rot RowLow RotHigh
HKLM i i i i f f f a   h k l QVP Intensity Hor Ver Rot
HKLM2 i i i i f f f a a a   h k l QVP Intensity Hor Ver Rot RotLow RotHight
IMAGEFILENAME s   peaks from image
SET
DATASETNAME
s   peaks from dataset
EXPERIMENT s   define experiment. IMAGEFILENAME, DATASET and SET are parts of an EXPERIMENT